USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 399 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot -66:sc= 1.98 USER MOD Set 1.2: A 45 SER OG : rot 17:sc= 0.756 USER MOD Set 2.1: A 30 SER OG : rot -65:sc= 0.0204 USER MOD Set 2.2: A 33 ASN : amide:sc= 0 X(o=0.02,f=-0.41) USER MOD Set 3.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.4!) USER MOD Single : A 20 THR OG1 : rot 70:sc= 0.00431 USER MOD Single : A 21 GLN : amide:sc= -0.016 K(o=-0.016,f=-2!) USER MOD Single : A 25 ASN : amide:sc= -0.0813 K(o=-0.081,f=-2.1!) USER MOD Single : A 29 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.21) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.859 K(o=-0.86,f=-5!) USER MOD Single : A 39 SER OG : rot 57:sc= 1.14 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.683 K(o=-0.68,f=-5.9!) USER MOD Single : A 46 ASN : amide:sc= -0.633 K(o=-0.63,f=-5.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 178:sc= -1.89 USER MOD Single : A 50 LYS NZ :NH3+ -157:sc= -0.03 (180deg=-0.355) USER MOD Single : A 52 ASN : amide:sc= -0.0115 X(o=-0.012,f=-0.012) USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.182) USER MOD Single : A 63 ASN : amide:sc= -1.59 K(o=-1.6,f=-7.8!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N CYS A 13 2.422 2.443 -16.838 1.00 0.00 N ATOM 211 CA CYS A 13 1.802 1.524 -17.803 1.00 0.00 C ATOM 212 C CYS A 13 2.639 0.266 -18.019 1.00 0.00 C ATOM 213 O CYS A 13 3.393 0.171 -18.988 1.00 0.00 O ATOM 214 CB CYS A 13 1.605 2.236 -19.141 1.00 0.00 C ATOM 215 SG CYS A 13 0.181 3.348 -19.027 1.00 0.00 S ATOM 0 HA CYS A 13 0.840 1.219 -17.391 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.501 2.800 -19.401 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.447 1.505 -19.934 1.00 0.00 H new ATOM 220 N ASN A 14 2.503 -0.696 -17.113 1.00 0.00 N ATOM 221 CA ASN A 14 3.254 -1.942 -17.218 1.00 0.00 C ATOM 222 C ASN A 14 2.340 -3.085 -17.649 1.00 0.00 C ATOM 223 O ASN A 14 2.562 -4.240 -17.286 1.00 0.00 O ATOM 224 CB ASN A 14 3.898 -2.280 -15.871 1.00 0.00 C ATOM 225 CG ASN A 14 2.831 -2.345 -14.783 1.00 0.00 C ATOM 226 OD1 ASN A 14 1.799 -2.993 -14.962 1.00 0.00 O ATOM 227 ND2 ASN A 14 3.019 -1.710 -13.659 1.00 0.00 N ATOM 0 H ASN A 14 1.885 -0.639 -16.304 1.00 0.00 H new ATOM 0 HA ASN A 14 4.033 -1.812 -17.970 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.420 -3.235 -15.938 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.643 -1.527 -15.616 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.311 -1.750 -12.926 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.874 -1.174 -13.513 1.00 0.00 H new ATOM 234 N THR A 15 1.313 -2.757 -18.428 1.00 0.00 N ATOM 235 CA THR A 15 0.375 -3.768 -18.904 1.00 0.00 C ATOM 236 C THR A 15 -0.179 -3.384 -20.273 1.00 0.00 C ATOM 237 O THR A 15 -0.287 -2.202 -20.599 1.00 0.00 O ATOM 238 CB THR A 15 -0.778 -3.924 -17.908 1.00 0.00 C ATOM 239 OG1 THR A 15 -1.624 -4.984 -18.329 1.00 0.00 O ATOM 240 CG2 THR A 15 -1.580 -2.623 -17.843 1.00 0.00 C ATOM 0 H THR A 15 1.110 -1.807 -18.741 1.00 0.00 H new ATOM 0 HA THR A 15 0.907 -4.715 -18.993 1.00 0.00 H new ATOM 0 HB THR A 15 -0.377 -4.149 -16.920 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.362 -5.087 -17.692 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.400 -2.736 -17.134 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.930 -1.810 -17.519 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.983 -2.394 -18.830 1.00 0.00 H new ATOM 248 N ALA A 16 -0.523 -4.390 -21.071 1.00 0.00 N ATOM 249 CA ALA A 16 -1.060 -4.147 -22.406 1.00 0.00 C ATOM 250 C ALA A 16 -2.368 -3.363 -22.337 1.00 0.00 C ATOM 251 O ALA A 16 -2.773 -2.730 -23.312 1.00 0.00 O ATOM 252 CB ALA A 16 -1.301 -5.479 -23.119 1.00 0.00 C ATOM 0 H ALA A 16 -0.440 -5.375 -20.819 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.332 -3.557 -22.963 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.702 -5.291 -24.115 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.360 -6.022 -23.203 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.013 -6.074 -22.547 1.00 0.00 H new ATOM 258 N THR A 17 -3.028 -3.409 -21.183 1.00 0.00 N ATOM 259 CA THR A 17 -4.289 -2.698 -21.009 1.00 0.00 C ATOM 260 C THR A 17 -4.102 -1.203 -21.249 1.00 0.00 C ATOM 261 O THR A 17 -4.966 -0.545 -21.829 1.00 0.00 O ATOM 262 CB THR A 17 -4.829 -2.928 -19.596 1.00 0.00 C ATOM 263 OG1 THR A 17 -5.066 -4.315 -19.401 1.00 0.00 O ATOM 264 CG2 THR A 17 -6.136 -2.155 -19.415 1.00 0.00 C ATOM 0 H THR A 17 -2.714 -3.926 -20.362 1.00 0.00 H new ATOM 0 HA THR A 17 -5.003 -3.083 -21.737 1.00 0.00 H new ATOM 0 HB THR A 17 -4.099 -2.578 -18.867 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.410 -4.464 -18.496 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.520 -2.320 -18.408 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.953 -1.091 -19.564 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.868 -2.503 -20.144 1.00 0.00 H new ATOM 272 N CYS A 18 -2.971 -0.671 -20.797 1.00 0.00 N ATOM 273 CA CYS A 18 -2.684 0.749 -20.968 1.00 0.00 C ATOM 274 C CYS A 18 -2.693 1.127 -22.445 1.00 0.00 C ATOM 275 O CYS A 18 -3.256 2.151 -22.830 1.00 0.00 O ATOM 276 CB CYS A 18 -1.320 1.085 -20.363 1.00 0.00 C ATOM 277 SG CYS A 18 -0.971 2.844 -20.608 1.00 0.00 S ATOM 0 H CYS A 18 -2.243 -1.197 -20.313 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.459 1.318 -20.455 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.313 0.846 -19.300 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.543 0.480 -20.831 1.00 0.00 H new ATOM 282 N ALA A 19 -2.061 0.299 -23.269 1.00 0.00 N ATOM 283 CA ALA A 19 -2.001 0.565 -24.701 1.00 0.00 C ATOM 284 C ALA A 19 -3.403 0.585 -25.305 1.00 0.00 C ATOM 285 O ALA A 19 -3.703 1.399 -26.176 1.00 0.00 O ATOM 286 CB ALA A 19 -1.159 -0.506 -25.397 1.00 0.00 C ATOM 0 H ALA A 19 -1.587 -0.555 -22.974 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.541 1.542 -24.849 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.119 -0.300 -26.467 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.149 -0.497 -24.988 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.608 -1.485 -25.233 1.00 0.00 H new ATOM 292 N THR A 20 -4.251 -0.327 -24.848 1.00 0.00 N ATOM 293 CA THR A 20 -5.614 -0.417 -25.360 1.00 0.00 C ATOM 294 C THR A 20 -6.386 0.883 -25.135 1.00 0.00 C ATOM 295 O THR A 20 -7.035 1.391 -26.050 1.00 0.00 O ATOM 296 CB THR A 20 -6.350 -1.570 -24.673 1.00 0.00 C ATOM 297 OG1 THR A 20 -5.682 -2.791 -24.957 1.00 0.00 O ATOM 298 CG2 THR A 20 -7.788 -1.639 -25.189 1.00 0.00 C ATOM 0 H THR A 20 -4.022 -1.012 -24.128 1.00 0.00 H new ATOM 0 HA THR A 20 -5.556 -0.597 -26.433 1.00 0.00 H new ATOM 0 HB THR A 20 -6.362 -1.405 -23.596 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.820 -2.808 -24.491 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.311 -2.460 -24.699 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.299 -0.701 -24.970 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.780 -1.805 -26.266 1.00 0.00 H new ATOM 306 N GLN A 21 -6.335 1.407 -23.913 1.00 0.00 N ATOM 307 CA GLN A 21 -7.060 2.635 -23.592 1.00 0.00 C ATOM 308 C GLN A 21 -6.367 3.869 -24.171 1.00 0.00 C ATOM 309 O GLN A 21 -7.026 4.852 -24.511 1.00 0.00 O ATOM 310 CB GLN A 21 -7.203 2.778 -22.072 1.00 0.00 C ATOM 311 CG GLN A 21 -6.020 3.567 -21.504 1.00 0.00 C ATOM 312 CD GLN A 21 -5.981 3.426 -19.986 1.00 0.00 C ATOM 313 OE1 GLN A 21 -6.790 2.700 -19.409 1.00 0.00 O ATOM 314 NE2 GLN A 21 -5.082 4.080 -19.303 1.00 0.00 N ATOM 0 H GLN A 21 -5.807 1.007 -23.137 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.049 2.566 -24.046 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.137 3.286 -21.833 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.249 1.792 -21.609 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.088 3.202 -21.936 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.108 4.618 -21.778 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.413 4.681 -19.785 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.048 3.990 -18.288 1.00 0.00 H new ATOM 323 N ARG A 22 -5.042 3.823 -24.281 1.00 0.00 N ATOM 324 CA ARG A 22 -4.300 4.959 -24.819 1.00 0.00 C ATOM 325 C ARG A 22 -4.337 4.960 -26.347 1.00 0.00 C ATOM 326 O ARG A 22 -4.158 6.001 -26.979 1.00 0.00 O ATOM 327 CB ARG A 22 -2.848 4.936 -24.311 1.00 0.00 C ATOM 328 CG ARG A 22 -1.956 4.082 -25.222 1.00 0.00 C ATOM 329 CD ARG A 22 -1.300 4.968 -26.285 1.00 0.00 C ATOM 330 NE ARG A 22 0.136 5.071 -26.040 1.00 0.00 N ATOM 331 CZ ARG A 22 0.977 4.091 -26.376 1.00 0.00 C ATOM 332 NH1 ARG A 22 0.538 2.996 -26.944 1.00 0.00 N ATOM 333 NH2 ARG A 22 2.253 4.226 -26.136 1.00 0.00 N ATOM 0 H ARG A 22 -4.468 3.025 -24.010 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.776 5.876 -24.471 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.459 5.953 -24.267 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.821 4.540 -23.296 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.190 3.581 -24.630 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.549 3.303 -25.701 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.478 4.551 -27.276 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.751 5.960 -26.270 1.00 0.00 H new ATOM 0 HE ARG A 22 0.506 5.914 -25.601 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.458 2.884 -27.135 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.192 2.255 -27.196 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.602 5.077 -25.694 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.901 3.481 -26.390 1.00 0.00 H new ATOM 347 N LEU A 23 -4.571 3.790 -26.934 1.00 0.00 N ATOM 348 CA LEU A 23 -4.630 3.675 -28.386 1.00 0.00 C ATOM 349 C LEU A 23 -5.933 4.261 -28.918 1.00 0.00 C ATOM 350 O LEU A 23 -5.937 4.995 -29.906 1.00 0.00 O ATOM 351 CB LEU A 23 -4.518 2.202 -28.797 1.00 0.00 C ATOM 352 CG LEU A 23 -4.585 2.074 -30.323 1.00 0.00 C ATOM 353 CD1 LEU A 23 -3.387 2.788 -30.954 1.00 0.00 C ATOM 354 CD2 LEU A 23 -4.552 0.594 -30.709 1.00 0.00 C ATOM 0 H LEU A 23 -4.722 2.915 -26.431 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.797 4.234 -28.812 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.580 1.784 -28.430 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.323 1.627 -28.340 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.508 2.528 -30.683 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.438 2.695 -32.039 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.406 3.843 -30.679 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.463 2.336 -30.594 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.600 0.500 -31.794 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.628 0.144 -30.346 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.405 0.082 -30.263 1.00 0.00 H new ATOM 366 N ALA A 24 -7.040 3.923 -28.264 1.00 0.00 N ATOM 367 CA ALA A 24 -8.346 4.413 -28.689 1.00 0.00 C ATOM 368 C ALA A 24 -8.379 5.938 -28.703 1.00 0.00 C ATOM 369 O ALA A 24 -8.883 6.545 -29.647 1.00 0.00 O ATOM 370 CB ALA A 24 -9.431 3.887 -27.747 1.00 0.00 C ATOM 0 H ALA A 24 -7.059 3.317 -27.444 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.532 4.053 -29.701 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.404 4.257 -28.070 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.432 2.797 -27.766 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.231 4.232 -26.733 1.00 0.00 H new ATOM 376 N ASN A 25 -7.843 6.554 -27.653 1.00 0.00 N ATOM 377 CA ASN A 25 -7.826 8.010 -27.567 1.00 0.00 C ATOM 378 C ASN A 25 -6.978 8.609 -28.685 1.00 0.00 C ATOM 379 O ASN A 25 -7.351 9.614 -29.289 1.00 0.00 O ATOM 380 CB ASN A 25 -7.262 8.442 -26.212 1.00 0.00 C ATOM 381 CG ASN A 25 -8.272 8.144 -25.109 1.00 0.00 C ATOM 382 OD1 ASN A 25 -9.461 7.978 -25.382 1.00 0.00 O ATOM 383 ND2 ASN A 25 -7.867 8.065 -23.871 1.00 0.00 N ATOM 0 H ASN A 25 -7.419 6.074 -26.859 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.849 8.372 -27.672 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.328 7.916 -26.013 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.031 9.507 -26.227 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.536 7.865 -23.127 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.881 8.203 -23.647 1.00 0.00 H new ATOM 390 N PHE A 26 -5.835 7.985 -28.951 1.00 0.00 N ATOM 391 CA PHE A 26 -4.937 8.465 -29.995 1.00 0.00 C ATOM 392 C PHE A 26 -5.573 8.305 -31.373 1.00 0.00 C ATOM 393 O PHE A 26 -5.389 9.145 -32.253 1.00 0.00 O ATOM 394 CB PHE A 26 -3.619 7.690 -29.947 1.00 0.00 C ATOM 395 CG PHE A 26 -2.667 8.253 -30.974 1.00 0.00 C ATOM 396 CD1 PHE A 26 -1.953 9.426 -30.700 1.00 0.00 C ATOM 397 CD2 PHE A 26 -2.498 7.603 -32.203 1.00 0.00 C ATOM 398 CE1 PHE A 26 -1.071 9.948 -31.653 1.00 0.00 C ATOM 399 CE2 PHE A 26 -1.616 8.125 -33.156 1.00 0.00 C ATOM 400 CZ PHE A 26 -0.903 9.298 -32.881 1.00 0.00 C ATOM 0 H PHE A 26 -5.510 7.151 -28.462 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.745 9.523 -29.820 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.180 7.759 -28.952 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.799 6.633 -30.143 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.083 9.928 -29.753 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.049 6.698 -32.415 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.520 10.852 -31.441 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.485 7.623 -34.103 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.223 9.701 -33.617 1.00 0.00 H new ATOM 410 N LEU A 27 -6.315 7.218 -31.554 1.00 0.00 N ATOM 411 CA LEU A 27 -6.967 6.950 -32.830 1.00 0.00 C ATOM 412 C LEU A 27 -7.910 8.095 -33.195 1.00 0.00 C ATOM 413 O LEU A 27 -7.727 8.763 -34.213 1.00 0.00 O ATOM 414 CB LEU A 27 -7.742 5.620 -32.725 1.00 0.00 C ATOM 415 CG LEU A 27 -8.546 5.298 -34.006 1.00 0.00 C ATOM 416 CD1 LEU A 27 -9.937 5.954 -33.949 1.00 0.00 C ATOM 417 CD2 LEU A 27 -7.796 5.770 -35.261 1.00 0.00 C ATOM 0 H LEU A 27 -6.479 6.511 -30.837 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.216 6.870 -33.616 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.040 4.810 -32.527 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.423 5.667 -31.875 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.666 4.216 -34.062 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.489 5.717 -34.859 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.483 5.576 -33.085 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.826 7.035 -33.863 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.384 5.531 -36.147 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.641 6.848 -35.208 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.831 5.267 -35.319 1.00 0.00 H new ATOM 429 N VAL A 28 -8.921 8.316 -32.360 1.00 0.00 N ATOM 430 CA VAL A 28 -9.891 9.377 -32.611 1.00 0.00 C ATOM 431 C VAL A 28 -9.205 10.729 -32.800 1.00 0.00 C ATOM 432 O VAL A 28 -9.794 11.658 -33.351 1.00 0.00 O ATOM 433 CB VAL A 28 -10.874 9.467 -31.442 1.00 0.00 C ATOM 434 CG1 VAL A 28 -11.632 8.145 -31.305 1.00 0.00 C ATOM 435 CG2 VAL A 28 -10.107 9.750 -30.148 1.00 0.00 C ATOM 0 H VAL A 28 -9.089 7.779 -31.509 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.424 9.132 -33.530 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.583 10.274 -31.629 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.332 8.211 -30.472 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.181 7.943 -32.225 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.924 7.337 -31.121 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.808 9.814 -29.316 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.396 8.944 -29.963 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.569 10.693 -30.243 1.00 0.00 H new ATOM 445 N HIS A 29 -7.965 10.838 -32.331 1.00 0.00 N ATOM 446 CA HIS A 29 -7.225 12.090 -32.449 1.00 0.00 C ATOM 447 C HIS A 29 -6.296 12.072 -33.660 1.00 0.00 C ATOM 448 O HIS A 29 -5.855 13.123 -34.127 1.00 0.00 O ATOM 449 CB HIS A 29 -6.405 12.331 -31.180 1.00 0.00 C ATOM 450 CG HIS A 29 -5.607 13.597 -31.330 1.00 0.00 C ATOM 451 ND1 HIS A 29 -6.197 14.851 -31.290 1.00 0.00 N ATOM 452 CD2 HIS A 29 -4.266 13.820 -31.519 1.00 0.00 C ATOM 453 CE1 HIS A 29 -5.221 15.764 -31.452 1.00 0.00 C ATOM 454 NE2 HIS A 29 -4.024 15.188 -31.596 1.00 0.00 N ATOM 0 H HIS A 29 -7.456 10.083 -31.871 1.00 0.00 H new ATOM 0 HA HIS A 29 -7.946 12.896 -32.581 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.066 12.405 -30.316 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.738 11.488 -31.000 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.513 13.050 -31.596 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.385 16.831 -31.464 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.126 15.652 -31.733 1.00 0.00 H new ATOM 463 N SER A 30 -5.997 10.879 -34.164 1.00 0.00 N ATOM 464 CA SER A 30 -5.115 10.740 -35.317 1.00 0.00 C ATOM 465 C SER A 30 -5.910 10.418 -36.580 1.00 0.00 C ATOM 466 O SER A 30 -5.353 9.921 -37.558 1.00 0.00 O ATOM 467 CB SER A 30 -4.104 9.622 -35.059 1.00 0.00 C ATOM 468 OG SER A 30 -3.197 9.547 -36.152 1.00 0.00 O ATOM 0 H SER A 30 -6.351 9.997 -33.793 1.00 0.00 H new ATOM 0 HA SER A 30 -4.596 11.687 -35.465 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.561 9.814 -34.133 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.621 8.670 -34.934 1.00 0.00 H new ATOM 0 HG SER A 30 -3.680 9.274 -36.960 1.00 0.00 H new ATOM 474 N SER A 31 -7.209 10.700 -36.559 1.00 0.00 N ATOM 475 CA SER A 31 -8.051 10.429 -37.719 1.00 0.00 C ATOM 476 C SER A 31 -7.469 11.092 -38.965 1.00 0.00 C ATOM 477 O SER A 31 -7.283 10.446 -39.995 1.00 0.00 O ATOM 478 CB SER A 31 -9.465 10.956 -37.472 1.00 0.00 C ATOM 479 OG SER A 31 -10.258 10.736 -38.631 1.00 0.00 O ATOM 0 H SER A 31 -7.697 11.111 -35.763 1.00 0.00 H new ATOM 0 HA SER A 31 -8.089 9.351 -37.876 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.908 10.452 -36.613 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.433 12.020 -37.236 1.00 0.00 H new ATOM 0 HG SER A 31 -11.165 11.071 -38.475 1.00 0.00 H new ATOM 485 N ASN A 32 -7.188 12.387 -38.859 1.00 0.00 N ATOM 486 CA ASN A 32 -6.630 13.134 -39.982 1.00 0.00 C ATOM 487 C ASN A 32 -5.446 12.384 -40.584 1.00 0.00 C ATOM 488 O ASN A 32 -5.400 12.141 -41.790 1.00 0.00 O ATOM 489 CB ASN A 32 -6.180 14.522 -39.520 1.00 0.00 C ATOM 490 CG ASN A 32 -5.379 14.409 -38.228 1.00 0.00 C ATOM 491 OD1 ASN A 32 -5.917 14.014 -37.194 1.00 0.00 O ATOM 492 ND2 ASN A 32 -4.115 14.735 -38.224 1.00 0.00 N ATOM 0 H ASN A 32 -7.336 12.938 -38.014 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.403 13.243 -40.743 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.573 14.992 -40.294 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -7.049 15.161 -39.364 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.572 14.662 -37.363 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.670 15.062 -39.081 1.00 0.00 H new ATOM 499 N ASN A 33 -4.496 12.013 -39.735 1.00 0.00 N ATOM 500 CA ASN A 33 -3.319 11.283 -40.192 1.00 0.00 C ATOM 501 C ASN A 33 -3.726 9.960 -40.834 1.00 0.00 C ATOM 502 O ASN A 33 -3.179 9.569 -41.864 1.00 0.00 O ATOM 503 CB ASN A 33 -2.377 11.015 -39.016 1.00 0.00 C ATOM 504 CG ASN A 33 -1.710 12.314 -38.575 1.00 0.00 C ATOM 505 OD1 ASN A 33 -1.976 12.809 -37.480 1.00 0.00 O ATOM 506 ND2 ASN A 33 -0.854 12.899 -39.368 1.00 0.00 N ATOM 0 H ASN A 33 -4.516 12.204 -38.733 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.804 11.892 -40.935 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.934 10.582 -38.185 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.619 10.287 -39.305 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.404 13.768 -39.081 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.635 12.487 -40.275 1.00 0.00 H new ATOM 513 N PHE A 34 -4.684 9.273 -40.222 1.00 0.00 N ATOM 514 CA PHE A 34 -5.146 7.994 -40.751 1.00 0.00 C ATOM 515 C PHE A 34 -5.634 8.149 -42.187 1.00 0.00 C ATOM 516 O PHE A 34 -5.248 7.382 -43.070 1.00 0.00 O ATOM 517 CB PHE A 34 -6.282 7.450 -39.881 1.00 0.00 C ATOM 518 CG PHE A 34 -6.757 6.130 -40.441 1.00 0.00 C ATOM 519 CD1 PHE A 34 -5.931 5.002 -40.371 1.00 0.00 C ATOM 520 CD2 PHE A 34 -8.025 6.034 -41.029 1.00 0.00 C ATOM 521 CE1 PHE A 34 -6.372 3.778 -40.889 1.00 0.00 C ATOM 522 CE2 PHE A 34 -8.465 4.810 -41.547 1.00 0.00 C ATOM 523 CZ PHE A 34 -7.639 3.682 -41.477 1.00 0.00 C ATOM 0 H PHE A 34 -5.152 9.576 -39.368 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.310 7.295 -40.739 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.938 7.319 -38.855 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.106 8.163 -39.853 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.954 5.076 -39.917 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.663 6.904 -41.083 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.735 2.908 -40.835 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.442 4.736 -42.001 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.979 2.738 -41.876 1.00 0.00 H new ATOM 533 N GLY A 35 -6.489 9.141 -42.415 1.00 0.00 N ATOM 534 CA GLY A 35 -7.025 9.378 -43.751 1.00 0.00 C ATOM 535 C GLY A 35 -5.912 9.754 -44.725 1.00 0.00 C ATOM 536 O GLY A 35 -5.893 9.301 -45.867 1.00 0.00 O ATOM 0 H GLY A 35 -6.823 9.788 -41.700 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.537 8.484 -44.106 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.766 10.176 -43.714 1.00 0.00 H new ATOM 540 N ALA A 36 -4.993 10.592 -44.260 1.00 0.00 N ATOM 541 CA ALA A 36 -3.879 11.037 -45.091 1.00 0.00 C ATOM 542 C ALA A 36 -3.021 9.855 -45.537 1.00 0.00 C ATOM 543 O ALA A 36 -2.625 9.769 -46.699 1.00 0.00 O ATOM 544 CB ALA A 36 -3.012 12.024 -44.307 1.00 0.00 C ATOM 0 H ALA A 36 -4.996 10.976 -43.315 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.288 11.523 -45.976 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.181 12.354 -44.931 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.613 12.886 -44.018 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.623 11.536 -43.413 1.00 0.00 H new ATOM 550 N ILE A 37 -2.732 8.951 -44.607 1.00 0.00 N ATOM 551 CA ILE A 37 -1.912 7.784 -44.918 1.00 0.00 C ATOM 552 C ILE A 37 -2.669 6.799 -45.805 1.00 0.00 C ATOM 553 O ILE A 37 -2.125 6.295 -46.788 1.00 0.00 O ATOM 554 CB ILE A 37 -1.482 7.087 -43.626 1.00 0.00 C ATOM 555 CG1 ILE A 37 -0.462 7.959 -42.890 1.00 0.00 C ATOM 556 CG2 ILE A 37 -0.847 5.736 -43.962 1.00 0.00 C ATOM 557 CD1 ILE A 37 -0.250 7.415 -41.476 1.00 0.00 C ATOM 0 H ILE A 37 -3.050 9.002 -43.639 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.030 8.126 -45.459 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.354 6.932 -42.991 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.483 7.968 -43.433 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.814 8.990 -42.845 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.540 5.239 -43.042 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.572 5.114 -44.486 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.025 5.892 -44.598 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.476 8.036 -40.952 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.196 7.429 -40.935 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.121 6.392 -41.532 1.00 0.00 H new ATOM 569 N LEU A 38 -3.919 6.521 -45.453 1.00 0.00 N ATOM 570 CA LEU A 38 -4.728 5.587 -46.228 1.00 0.00 C ATOM 571 C LEU A 38 -4.915 6.096 -47.655 1.00 0.00 C ATOM 572 O LEU A 38 -4.811 5.334 -48.616 1.00 0.00 O ATOM 573 CB LEU A 38 -6.096 5.407 -45.560 1.00 0.00 C ATOM 574 CG LEU A 38 -6.941 4.406 -46.355 1.00 0.00 C ATOM 575 CD1 LEU A 38 -6.282 3.025 -46.311 1.00 0.00 C ATOM 576 CD2 LEU A 38 -8.339 4.322 -45.737 1.00 0.00 C ATOM 0 H LEU A 38 -4.391 6.924 -44.644 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.212 4.627 -46.264 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.966 5.054 -44.537 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.611 6.366 -45.504 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.016 4.737 -47.391 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.886 2.316 -46.877 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.285 3.083 -46.748 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.205 2.691 -45.276 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.943 3.611 -46.300 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.260 3.991 -44.701 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.811 5.304 -45.769 1.00 0.00 H new ATOM 588 N SER A 39 -5.198 7.386 -47.780 1.00 0.00 N ATOM 589 CA SER A 39 -5.409 7.995 -49.089 1.00 0.00 C ATOM 590 C SER A 39 -4.245 7.686 -50.026 1.00 0.00 C ATOM 591 O SER A 39 -4.400 7.703 -51.247 1.00 0.00 O ATOM 592 CB SER A 39 -5.557 9.509 -48.940 1.00 0.00 C ATOM 593 OG SER A 39 -6.733 9.795 -48.196 1.00 0.00 O ATOM 0 H SER A 39 -5.287 8.030 -46.994 1.00 0.00 H new ATOM 0 HA SER A 39 -6.321 7.578 -49.517 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.684 9.923 -48.436 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.611 9.979 -49.922 1.00 0.00 H new ATOM 0 HG SER A 39 -6.688 9.344 -47.327 1.00 0.00 H new ATOM 599 N SER A 40 -3.082 7.405 -49.448 1.00 0.00 N ATOM 600 CA SER A 40 -1.899 7.095 -50.245 1.00 0.00 C ATOM 601 C SER A 40 -1.796 5.594 -50.500 1.00 0.00 C ATOM 602 O SER A 40 -0.700 5.035 -50.532 1.00 0.00 O ATOM 603 CB SER A 40 -0.642 7.577 -49.520 1.00 0.00 C ATOM 604 OG SER A 40 -0.675 8.994 -49.415 1.00 0.00 O ATOM 0 H SER A 40 -2.933 7.385 -48.439 1.00 0.00 H new ATOM 0 HA SER A 40 -1.988 7.607 -51.203 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.586 7.129 -48.528 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.249 7.262 -50.063 1.00 0.00 H new ATOM 0 HG SER A 40 0.129 9.306 -48.949 1.00 0.00 H new ATOM 610 N THR A 41 -2.943 4.947 -50.680 1.00 0.00 N ATOM 611 CA THR A 41 -2.967 3.510 -50.931 1.00 0.00 C ATOM 612 C THR A 41 -2.786 3.220 -52.417 1.00 0.00 C ATOM 613 O THR A 41 -3.542 2.446 -53.005 1.00 0.00 O ATOM 614 CB THR A 41 -4.294 2.917 -50.451 1.00 0.00 C ATOM 615 OG1 THR A 41 -4.343 1.538 -50.790 1.00 0.00 O ATOM 616 CG2 THR A 41 -5.458 3.651 -51.120 1.00 0.00 C ATOM 0 H THR A 41 -3.861 5.390 -50.657 1.00 0.00 H new ATOM 0 HA THR A 41 -2.145 3.052 -50.381 1.00 0.00 H new ATOM 0 HB THR A 41 -4.372 3.030 -49.370 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.365 1.441 -51.765 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.401 3.227 -50.776 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.419 4.709 -50.859 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.384 3.541 -52.202 1.00 0.00 H new ATOM 624 N ASN A 42 -1.778 3.843 -53.020 1.00 0.00 N ATOM 625 CA ASN A 42 -1.508 3.639 -54.438 1.00 0.00 C ATOM 626 C ASN A 42 -0.778 2.315 -54.677 1.00 0.00 C ATOM 627 O ASN A 42 -0.452 1.979 -55.816 1.00 0.00 O ATOM 628 CB ASN A 42 -0.659 4.792 -54.976 1.00 0.00 C ATOM 629 CG ASN A 42 0.733 4.746 -54.355 1.00 0.00 C ATOM 630 OD1 ASN A 42 0.960 4.016 -53.390 1.00 0.00 O ATOM 631 ND2 ASN A 42 1.685 5.487 -54.854 1.00 0.00 N ATOM 0 H ASN A 42 -1.140 4.488 -52.553 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.463 3.607 -54.962 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.585 4.725 -56.061 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.137 5.745 -54.748 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.619 5.462 -54.444 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.495 6.091 -55.654 1.00 0.00 H new ATOM 638 N VAL A 43 -0.521 1.565 -53.605 1.00 0.00 N ATOM 639 CA VAL A 43 0.170 0.287 -53.731 1.00 0.00 C ATOM 640 C VAL A 43 -0.676 -0.707 -54.520 1.00 0.00 C ATOM 641 O VAL A 43 -0.150 -1.636 -55.133 1.00 0.00 O ATOM 642 CB VAL A 43 0.468 -0.283 -52.343 1.00 0.00 C ATOM 643 CG1 VAL A 43 -0.843 -0.672 -51.658 1.00 0.00 C ATOM 644 CG2 VAL A 43 1.356 -1.521 -52.482 1.00 0.00 C ATOM 0 H VAL A 43 -0.778 1.819 -52.651 1.00 0.00 H new ATOM 0 HA VAL A 43 1.105 0.453 -54.265 1.00 0.00 H new ATOM 0 HB VAL A 43 0.981 0.469 -51.744 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.630 -1.078 -50.669 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.478 0.209 -51.560 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.357 -1.424 -52.256 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.569 -1.929 -51.494 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.842 -2.272 -53.081 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.291 -1.245 -52.970 1.00 0.00 H new ATOM 654 N GLY A 44 -1.990 -0.507 -54.499 1.00 0.00 N ATOM 655 CA GLY A 44 -2.899 -1.395 -55.216 1.00 0.00 C ATOM 656 C GLY A 44 -3.854 -2.097 -54.255 1.00 0.00 C ATOM 657 O GLY A 44 -4.398 -3.155 -54.571 1.00 0.00 O ATOM 0 H GLY A 44 -2.446 0.255 -53.998 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.470 -0.823 -55.947 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.325 -2.138 -55.770 1.00 0.00 H new ATOM 661 N SER A 45 -4.054 -1.503 -53.083 1.00 0.00 N ATOM 662 CA SER A 45 -4.947 -2.085 -52.087 1.00 0.00 C ATOM 663 C SER A 45 -6.207 -1.237 -51.936 1.00 0.00 C ATOM 664 O SER A 45 -6.824 -1.209 -50.871 1.00 0.00 O ATOM 665 CB SER A 45 -4.231 -2.184 -50.739 1.00 0.00 C ATOM 666 OG SER A 45 -3.829 -0.886 -50.325 1.00 0.00 O ATOM 0 H SER A 45 -3.614 -0.627 -52.801 1.00 0.00 H new ATOM 0 HA SER A 45 -5.233 -3.083 -52.421 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.892 -2.627 -49.995 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.362 -2.837 -50.823 1.00 0.00 H new ATOM 0 HG SER A 45 -4.319 -0.212 -50.841 1.00 0.00 H new ATOM 672 N ASN A 46 -6.581 -0.548 -53.009 1.00 0.00 N ATOM 673 CA ASN A 46 -7.768 0.300 -52.986 1.00 0.00 C ATOM 674 C ASN A 46 -8.973 -0.449 -53.547 1.00 0.00 C ATOM 675 O ASN A 46 -9.908 0.161 -54.066 1.00 0.00 O ATOM 676 CB ASN A 46 -7.523 1.565 -53.810 1.00 0.00 C ATOM 677 CG ASN A 46 -7.402 1.209 -55.287 1.00 0.00 C ATOM 678 OD1 ASN A 46 -7.246 0.038 -55.633 1.00 0.00 O ATOM 679 ND2 ASN A 46 -7.465 2.154 -56.185 1.00 0.00 N ATOM 0 H ASN A 46 -6.084 -0.559 -53.899 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.974 0.575 -51.952 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.342 2.269 -53.663 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.613 2.059 -53.471 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.385 1.923 -57.175 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.594 3.124 -55.897 1.00 0.00 H new ATOM 686 N THR A 47 -8.944 -1.774 -53.442 1.00 0.00 N ATOM 687 CA THR A 47 -10.040 -2.595 -53.946 1.00 0.00 C ATOM 688 C THR A 47 -11.078 -2.842 -52.854 1.00 0.00 C ATOM 689 O THR A 47 -11.817 -3.825 -52.901 1.00 0.00 O ATOM 690 CB THR A 47 -9.498 -3.934 -54.451 1.00 0.00 C ATOM 691 OG1 THR A 47 -8.250 -3.725 -55.097 1.00 0.00 O ATOM 692 CG2 THR A 47 -10.491 -4.547 -55.441 1.00 0.00 C ATOM 0 H THR A 47 -8.180 -2.299 -53.016 1.00 0.00 H new ATOM 0 HA THR A 47 -10.518 -2.062 -54.768 1.00 0.00 H new ATOM 0 HB THR A 47 -9.362 -4.612 -53.609 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.901 -4.582 -55.419 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.105 -5.501 -55.800 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.448 -4.707 -54.944 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.629 -3.870 -56.284 1.00 0.00 H new ATOM 700 N TYR A 48 -11.130 -1.944 -51.875 1.00 0.00 N ATOM 701 CA TYR A 48 -12.085 -2.076 -50.780 1.00 0.00 C ATOM 702 C TYR A 48 -13.011 -0.864 -50.726 1.00 0.00 C ATOM 703 O TYR A 48 -13.571 -0.545 -49.677 1.00 0.00 O ATOM 704 CB TYR A 48 -11.339 -2.214 -49.450 1.00 0.00 C ATOM 705 CG TYR A 48 -10.609 -0.928 -49.142 1.00 0.00 C ATOM 706 CD1 TYR A 48 -11.181 0.010 -48.273 1.00 0.00 C ATOM 707 CD2 TYR A 48 -9.362 -0.674 -49.724 1.00 0.00 C ATOM 708 CE1 TYR A 48 -10.504 1.202 -47.988 1.00 0.00 C ATOM 709 CE2 TYR A 48 -8.686 0.518 -49.438 1.00 0.00 C ATOM 710 CZ TYR A 48 -9.257 1.456 -48.570 1.00 0.00 C ATOM 711 OH TYR A 48 -8.591 2.631 -48.288 1.00 0.00 O ATOM 0 H TYR A 48 -10.527 -1.123 -51.817 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.686 -2.969 -50.952 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -12.042 -2.446 -48.650 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.632 -3.042 -49.502 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -12.143 -0.186 -47.823 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.921 -1.398 -50.394 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.945 1.926 -47.318 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.724 0.714 -49.887 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.725 2.635 -48.747 1.00 0.00 H new ATOM 721 N GLY A 49 -13.170 -0.193 -51.863 1.00 0.00 N ATOM 722 CA GLY A 49 -14.030 0.983 -51.931 1.00 0.00 C ATOM 723 C GLY A 49 -15.442 0.655 -51.459 1.00 0.00 C ATOM 724 O GLY A 49 -15.928 -0.460 -51.646 1.00 0.00 O ATOM 0 H GLY A 49 -12.718 -0.441 -52.743 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.613 1.779 -51.315 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.062 1.356 -52.955 1.00 0.00 H new ATOM 728 N LYS A 50 -16.096 1.635 -50.844 1.00 0.00 N ATOM 729 CA LYS A 50 -17.453 1.442 -50.346 1.00 0.00 C ATOM 730 C LYS A 50 -18.410 1.146 -51.497 1.00 0.00 C ATOM 731 O LYS A 50 -19.330 0.340 -51.358 1.00 0.00 O ATOM 732 CB LYS A 50 -17.919 2.694 -49.601 1.00 0.00 C ATOM 733 CG LYS A 50 -17.152 2.818 -48.283 1.00 0.00 C ATOM 734 CD LYS A 50 -17.724 3.977 -47.463 1.00 0.00 C ATOM 735 CE LYS A 50 -17.229 5.308 -48.036 1.00 0.00 C ATOM 736 NZ LYS A 50 -15.785 5.487 -47.708 1.00 0.00 N ATOM 0 H LYS A 50 -15.711 2.565 -50.679 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.452 0.593 -49.663 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.753 3.579 -50.215 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.990 2.637 -49.407 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.226 1.888 -47.719 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.094 2.987 -48.481 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.813 3.945 -47.481 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -17.419 3.883 -46.421 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -17.372 5.326 -49.116 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -17.811 6.132 -47.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.546 6.499 -47.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.596 5.111 -46.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.205 4.976 -48.404 1.00 0.00 H new ATOM 750 N ARG A 51 -18.187 1.802 -52.631 1.00 0.00 N ATOM 751 CA ARG A 51 -19.037 1.601 -53.799 1.00 0.00 C ATOM 752 C ARG A 51 -18.891 0.181 -54.345 1.00 0.00 C ATOM 753 O ARG A 51 -19.744 -0.294 -55.094 1.00 0.00 O ATOM 754 CB ARG A 51 -18.674 2.611 -54.891 1.00 0.00 C ATOM 755 CG ARG A 51 -17.316 2.251 -55.499 1.00 0.00 C ATOM 756 CD ARG A 51 -16.874 3.361 -56.454 1.00 0.00 C ATOM 757 NE ARG A 51 -15.607 3.007 -57.088 1.00 0.00 N ATOM 758 CZ ARG A 51 -14.439 3.161 -56.461 1.00 0.00 C ATOM 759 NH1 ARG A 51 -14.389 3.637 -55.243 1.00 0.00 N ATOM 760 NH2 ARG A 51 -13.333 2.833 -57.071 1.00 0.00 N ATOM 0 H ARG A 51 -17.431 2.473 -52.766 1.00 0.00 H new ATOM 0 HA ARG A 51 -20.073 1.750 -53.494 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -19.441 2.614 -55.666 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -18.640 3.617 -54.472 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -16.576 2.120 -54.710 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -17.384 1.303 -56.033 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -17.638 3.521 -57.215 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -16.766 4.298 -55.908 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.615 2.632 -58.036 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.250 3.896 -54.761 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.489 3.749 -54.776 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.365 2.462 -58.021 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.436 2.948 -56.598 1.00 0.00 H new ATOM 774 N ASN A 52 -17.810 -0.495 -53.965 1.00 0.00 N ATOM 775 CA ASN A 52 -17.576 -1.859 -54.426 1.00 0.00 C ATOM 776 C ASN A 52 -18.516 -2.832 -53.721 1.00 0.00 C ATOM 777 O ASN A 52 -18.820 -3.904 -54.244 1.00 0.00 O ATOM 778 CB ASN A 52 -16.126 -2.263 -54.155 1.00 0.00 C ATOM 779 CG ASN A 52 -15.864 -3.659 -54.708 1.00 0.00 C ATOM 780 OD1 ASN A 52 -15.800 -3.846 -55.923 1.00 0.00 O ATOM 781 ND2 ASN A 52 -15.712 -4.658 -53.882 1.00 0.00 N ATOM 0 H ASN A 52 -17.089 -0.125 -53.345 1.00 0.00 H new ATOM 0 HA ASN A 52 -17.768 -1.896 -55.498 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.447 -1.546 -54.617 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.928 -2.244 -53.083 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.540 -5.596 -54.243 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.765 -4.500 -52.876 1.00 0.00 H new ATOM 788 N ALA A 53 -18.967 -2.455 -52.529 1.00 0.00 N ATOM 789 CA ALA A 53 -19.866 -3.305 -51.758 1.00 0.00 C ATOM 790 C ALA A 53 -21.130 -3.616 -52.552 1.00 0.00 C ATOM 791 O ALA A 53 -21.629 -4.740 -52.526 1.00 0.00 O ATOM 792 CB ALA A 53 -20.244 -2.609 -50.449 1.00 0.00 C ATOM 0 H ALA A 53 -18.726 -1.572 -52.078 1.00 0.00 H new ATOM 0 HA ALA A 53 -19.351 -4.241 -51.540 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -20.916 -3.249 -49.877 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.343 -2.416 -49.866 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -20.742 -1.665 -50.670 1.00 0.00 H new ATOM 798 N VAL A 54 -21.648 -2.613 -53.252 1.00 0.00 N ATOM 799 CA VAL A 54 -22.858 -2.800 -54.043 1.00 0.00 C ATOM 800 C VAL A 54 -22.551 -3.581 -55.318 1.00 0.00 C ATOM 801 O VAL A 54 -23.402 -4.313 -55.824 1.00 0.00 O ATOM 802 CB VAL A 54 -23.481 -1.442 -54.389 1.00 0.00 C ATOM 803 CG1 VAL A 54 -22.915 -0.928 -55.716 1.00 0.00 C ATOM 804 CG2 VAL A 54 -24.999 -1.598 -54.510 1.00 0.00 C ATOM 0 H VAL A 54 -21.254 -1.673 -53.288 1.00 0.00 H new ATOM 0 HA VAL A 54 -23.572 -3.373 -53.451 1.00 0.00 H new ATOM 0 HB VAL A 54 -23.244 -0.728 -53.600 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -23.363 0.037 -55.953 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -21.834 -0.815 -55.631 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -23.144 -1.640 -56.509 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -25.445 -0.634 -54.756 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -25.229 -2.316 -55.297 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -25.405 -1.955 -53.563 1.00 0.00 H new ATOM 814 N GLU A 55 -21.336 -3.423 -55.837 1.00 0.00 N ATOM 815 CA GLU A 55 -20.943 -4.122 -57.055 1.00 0.00 C ATOM 816 C GLU A 55 -20.989 -5.634 -56.851 1.00 0.00 C ATOM 817 O GLU A 55 -21.561 -6.361 -57.663 1.00 0.00 O ATOM 818 CB GLU A 55 -19.530 -3.701 -57.462 1.00 0.00 C ATOM 819 CG GLU A 55 -19.226 -4.217 -58.871 1.00 0.00 C ATOM 820 CD GLU A 55 -18.769 -5.673 -58.815 1.00 0.00 C ATOM 821 OE1 GLU A 55 -18.168 -6.049 -57.822 1.00 0.00 O ATOM 822 OE2 GLU A 55 -19.027 -6.390 -59.768 1.00 0.00 O ATOM 0 H GLU A 55 -20.614 -2.823 -55.437 1.00 0.00 H new ATOM 0 HA GLU A 55 -21.645 -3.857 -57.845 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -19.441 -2.615 -57.435 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -18.803 -4.098 -56.754 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -20.115 -4.131 -59.497 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -18.452 -3.603 -59.331 1.00 0.00 H new ATOM 829 N VAL A 56 -20.384 -6.103 -55.764 1.00 0.00 N ATOM 830 CA VAL A 56 -20.368 -7.533 -55.475 1.00 0.00 C ATOM 831 C VAL A 56 -21.758 -8.014 -55.066 1.00 0.00 C ATOM 832 O VAL A 56 -22.189 -9.098 -55.458 1.00 0.00 O ATOM 833 CB VAL A 56 -19.357 -7.844 -54.366 1.00 0.00 C ATOM 834 CG1 VAL A 56 -19.745 -7.110 -53.080 1.00 0.00 C ATOM 835 CG2 VAL A 56 -19.341 -9.352 -54.103 1.00 0.00 C ATOM 0 H VAL A 56 -19.904 -5.522 -55.076 1.00 0.00 H new ATOM 0 HA VAL A 56 -20.069 -8.061 -56.381 1.00 0.00 H new ATOM 0 HB VAL A 56 -18.368 -7.512 -54.682 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -19.020 -7.338 -52.298 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -19.755 -6.036 -53.263 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -20.736 -7.433 -52.761 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -18.623 -9.576 -53.314 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -20.334 -9.678 -53.793 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -19.055 -9.877 -55.014 1.00 0.00 H new ATOM 845 N LEU A 57 -22.454 -7.201 -54.276 1.00 0.00 N ATOM 846 CA LEU A 57 -23.795 -7.552 -53.819 1.00 0.00 C ATOM 847 C LEU A 57 -24.665 -8.021 -54.981 1.00 0.00 C ATOM 848 O LEU A 57 -25.217 -9.121 -54.948 1.00 0.00 O ATOM 849 CB LEU A 57 -24.452 -6.340 -53.154 1.00 0.00 C ATOM 850 CG LEU A 57 -24.643 -6.616 -51.662 1.00 0.00 C ATOM 851 CD1 LEU A 57 -23.330 -6.357 -50.922 1.00 0.00 C ATOM 852 CD2 LEU A 57 -25.731 -5.692 -51.110 1.00 0.00 C ATOM 0 H LEU A 57 -22.114 -6.300 -53.941 1.00 0.00 H new ATOM 0 HA LEU A 57 -23.704 -8.366 -53.100 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -23.832 -5.455 -53.294 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -25.414 -6.132 -53.622 1.00 0.00 H new ATOM 0 HG LEU A 57 -24.940 -7.655 -51.519 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -23.467 -6.554 -49.859 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -22.555 -7.014 -51.316 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -23.032 -5.318 -51.063 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -25.869 -5.887 -50.046 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -25.433 -4.653 -51.253 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -26.667 -5.877 -51.637 1.00 0.00 H new ATOM 864 N LYS A 58 -24.793 -7.182 -56.003 1.00 0.00 N ATOM 865 CA LYS A 58 -25.610 -7.528 -57.160 1.00 0.00 C ATOM 866 C LYS A 58 -25.010 -8.716 -57.906 1.00 0.00 C ATOM 867 O LYS A 58 -25.731 -9.543 -58.465 1.00 0.00 O ATOM 868 CB LYS A 58 -25.719 -6.329 -58.105 1.00 0.00 C ATOM 869 CG LYS A 58 -26.605 -5.253 -57.472 1.00 0.00 C ATOM 870 CD LYS A 58 -28.074 -5.668 -57.584 1.00 0.00 C ATOM 871 CE LYS A 58 -28.967 -4.504 -57.151 1.00 0.00 C ATOM 872 NZ LYS A 58 -28.765 -4.236 -55.699 1.00 0.00 N ATOM 0 H LYS A 58 -24.346 -6.266 -56.054 1.00 0.00 H new ATOM 0 HA LYS A 58 -26.605 -7.801 -56.807 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -24.728 -5.924 -58.310 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -26.139 -6.644 -59.061 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -26.334 -5.114 -56.425 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -26.447 -4.297 -57.972 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -28.305 -5.955 -58.610 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -28.266 -6.540 -56.958 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -28.729 -3.613 -57.733 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -30.013 -4.742 -57.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -29.497 -3.579 -55.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -28.831 -5.128 -55.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -27.826 -3.814 -55.551 1.00 0.00 H new ATOM 886 N ARG A 59 -23.683 -8.790 -57.909 1.00 0.00 N ATOM 887 CA ARG A 59 -22.985 -9.875 -58.588 1.00 0.00 C ATOM 888 C ARG A 59 -23.320 -11.219 -57.949 1.00 0.00 C ATOM 889 O ARG A 59 -23.410 -12.237 -58.635 1.00 0.00 O ATOM 890 CB ARG A 59 -21.474 -9.642 -58.525 1.00 0.00 C ATOM 891 CG ARG A 59 -20.767 -10.607 -59.481 1.00 0.00 C ATOM 892 CD ARG A 59 -20.225 -11.801 -58.694 1.00 0.00 C ATOM 893 NE ARG A 59 -19.560 -12.739 -59.594 1.00 0.00 N ATOM 894 CZ ARG A 59 -19.071 -13.902 -59.160 1.00 0.00 C ATOM 895 NH1 ARG A 59 -19.173 -14.244 -57.900 1.00 0.00 N ATOM 896 NH2 ARG A 59 -18.484 -14.708 -60.001 1.00 0.00 N ATOM 0 H ARG A 59 -23.072 -8.114 -57.451 1.00 0.00 H new ATOM 0 HA ARG A 59 -23.310 -9.892 -59.628 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -21.243 -8.612 -58.795 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -21.114 -9.793 -57.507 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -21.461 -10.949 -60.248 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.952 -10.096 -59.993 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -19.524 -11.457 -57.934 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.040 -12.302 -58.172 1.00 0.00 H new ATOM 0 HE ARG A 59 -19.467 -12.499 -60.581 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.631 -13.618 -57.237 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.795 -15.136 -57.581 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.401 -14.448 -60.984 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.108 -15.599 -59.676 1.00 0.00 H new ATOM 910 N GLU A 60 -23.498 -11.217 -56.632 1.00 0.00 N ATOM 911 CA GLU A 60 -23.815 -12.445 -55.913 1.00 0.00 C ATOM 912 C GLU A 60 -25.218 -12.376 -55.315 1.00 0.00 C ATOM 913 O GLU A 60 -25.379 -12.198 -54.108 1.00 0.00 O ATOM 914 CB GLU A 60 -22.796 -12.670 -54.795 1.00 0.00 C ATOM 915 CG GLU A 60 -23.003 -14.059 -54.187 1.00 0.00 C ATOM 916 CD GLU A 60 -21.979 -14.304 -53.084 1.00 0.00 C ATOM 917 OE1 GLU A 60 -21.143 -13.441 -52.877 1.00 0.00 O ATOM 918 OE2 GLU A 60 -22.048 -15.351 -52.462 1.00 0.00 O ATOM 0 H GLU A 60 -23.429 -10.386 -56.045 1.00 0.00 H new ATOM 0 HA GLU A 60 -23.775 -13.275 -56.619 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -21.783 -12.581 -55.188 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -22.908 -11.905 -54.027 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -24.012 -14.141 -53.783 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -22.906 -14.821 -54.960 1.00 0.00 H new ATOM 925 N PRO A 61 -26.227 -12.518 -56.134 1.00 0.00 N ATOM 926 CA PRO A 61 -27.649 -12.477 -55.679 1.00 0.00 C ATOM 927 C PRO A 61 -28.020 -13.679 -54.809 1.00 0.00 C ATOM 928 O PRO A 61 -29.096 -13.711 -54.212 1.00 0.00 O ATOM 929 CB PRO A 61 -28.453 -12.479 -56.982 1.00 0.00 C ATOM 930 CG PRO A 61 -27.549 -13.074 -58.010 1.00 0.00 C ATOM 931 CD PRO A 61 -26.122 -12.733 -57.586 1.00 0.00 C ATOM 0 HA PRO A 61 -27.846 -11.607 -55.052 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -29.367 -13.064 -56.878 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -28.751 -11.468 -57.260 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -27.688 -14.153 -58.070 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -27.767 -12.669 -58.998 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -25.431 -13.542 -57.821 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -25.755 -11.842 -58.096 1.00 0.00 H new ATOM 939 N LEU A 62 -27.129 -14.665 -54.739 1.00 0.00 N ATOM 940 CA LEU A 62 -27.388 -15.854 -53.936 1.00 0.00 C ATOM 941 C LEU A 62 -27.584 -15.474 -52.471 1.00 0.00 C ATOM 942 O LEU A 62 -28.477 -15.992 -51.800 1.00 0.00 O ATOM 943 CB LEU A 62 -26.222 -16.837 -54.064 1.00 0.00 C ATOM 944 CG LEU A 62 -26.633 -18.193 -53.488 1.00 0.00 C ATOM 945 CD1 LEU A 62 -26.060 -19.312 -54.360 1.00 0.00 C ATOM 946 CD2 LEU A 62 -26.088 -18.328 -52.064 1.00 0.00 C ATOM 0 H LEU A 62 -26.231 -14.664 -55.223 1.00 0.00 H new ATOM 0 HA LEU A 62 -28.299 -16.328 -54.302 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -25.937 -16.946 -55.110 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -25.350 -16.454 -53.534 1.00 0.00 H new ATOM 0 HG LEU A 62 -27.720 -18.266 -53.470 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -26.352 -20.279 -53.950 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -26.446 -19.216 -55.375 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -24.973 -19.239 -54.377 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -26.380 -19.294 -51.653 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -25.001 -18.255 -52.082 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -26.494 -17.531 -51.442 1.00 0.00 H new ATOM 958 N ASN A 63 -26.745 -14.566 -51.982 1.00 0.00 N ATOM 959 CA ASN A 63 -26.839 -14.125 -50.595 1.00 0.00 C ATOM 960 C ASN A 63 -28.271 -13.722 -50.259 1.00 0.00 C ATOM 961 O ASN A 63 -28.711 -13.846 -49.116 1.00 0.00 O ATOM 962 CB ASN A 63 -25.902 -12.939 -50.357 1.00 0.00 C ATOM 963 CG ASN A 63 -26.422 -11.706 -51.087 1.00 0.00 C ATOM 964 OD1 ASN A 63 -26.961 -11.816 -52.188 1.00 0.00 O ATOM 965 ND2 ASN A 63 -26.291 -10.530 -50.537 1.00 0.00 N ATOM 0 H ASN A 63 -25.999 -14.125 -52.520 1.00 0.00 H new ATOM 0 HA ASN A 63 -26.545 -14.952 -49.949 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -25.826 -12.734 -49.289 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -24.899 -13.182 -50.707 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -26.636 -9.700 -51.020 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -25.844 -10.441 -49.624 1.00 0.00 H new ATOM 972 N TYR A 64 -28.995 -13.241 -51.265 1.00 0.00 N ATOM 973 CA TYR A 64 -30.380 -12.825 -51.070 1.00 0.00 C ATOM 974 C TYR A 64 -31.292 -14.040 -50.937 1.00 0.00 C ATOM 975 O TYR A 64 -32.157 -14.082 -50.062 1.00 0.00 O ATOM 976 CB TYR A 64 -30.840 -11.966 -52.249 1.00 0.00 C ATOM 977 CG TYR A 64 -32.263 -11.516 -52.020 1.00 0.00 C ATOM 978 CD1 TYR A 64 -32.530 -10.454 -51.147 1.00 0.00 C ATOM 979 CD2 TYR A 64 -33.316 -12.161 -52.680 1.00 0.00 C ATOM 980 CE1 TYR A 64 -33.849 -10.037 -50.935 1.00 0.00 C ATOM 981 CE2 TYR A 64 -34.636 -11.744 -52.467 1.00 0.00 C ATOM 982 CZ TYR A 64 -34.902 -10.682 -51.595 1.00 0.00 C ATOM 983 OH TYR A 64 -36.203 -10.271 -51.385 1.00 0.00 O ATOM 0 H TYR A 64 -28.649 -13.130 -52.218 1.00 0.00 H new ATOM 0 HA TYR A 64 -30.437 -12.240 -50.152 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -30.187 -11.100 -52.358 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -30.772 -12.536 -53.176 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -31.718 -9.957 -50.637 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -33.110 -12.980 -53.353 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -34.055 -9.218 -50.262 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -35.448 -12.242 -52.975 1.00 0.00 H new ATOM 0 HH TYR A 64 -36.811 -10.823 -51.920 1.00 0.00 H new ATOM 993 N LEU A 65 -31.096 -15.026 -51.805 1.00 0.00 N ATOM 994 CA LEU A 65 -31.913 -16.233 -51.766 1.00 0.00 C ATOM 995 C LEU A 65 -31.574 -17.063 -50.527 1.00 0.00 C ATOM 996 O LEU A 65 -30.495 -16.914 -49.953 1.00 0.00 O ATOM 997 CB LEU A 65 -31.668 -17.066 -53.027 1.00 0.00 C ATOM 998 CG LEU A 65 -32.155 -16.295 -54.255 1.00 0.00 C ATOM 999 CD1 LEU A 65 -31.675 -17.002 -55.524 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -33.686 -16.241 -54.251 1.00 0.00 C ATOM 0 H LEU A 65 -30.386 -15.015 -52.537 1.00 0.00 H new ATOM 0 HA LEU A 65 -32.963 -15.944 -51.721 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -30.606 -17.292 -53.125 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -32.191 -18.019 -52.953 1.00 0.00 H new ATOM 0 HG LEU A 65 -31.755 -15.281 -54.229 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -32.022 -16.453 -56.400 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -30.586 -17.042 -55.528 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -32.075 -18.016 -55.549 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -34.033 -15.692 -55.126 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -34.086 -17.255 -54.277 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -34.030 -15.738 -53.347 1.00 0.00 H new